SCHEMBL2431935

SCHEMBL2431935

Cc1cccc(S(N)(=O)=O)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
CA2 P00918 8/20 0.40
CA9 Q16790 6/20 0.40
CA1 P00915 5/20 0.40
CA12 O43570 4/20 0.39
CA4 P22748 3/20 0.39
CA6 P23280 3/20 0.39
CA7 P43166 3/20 0.39
CA5A P35218 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
CYP2C9 P11712 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CDK2 P24941 1/20 0.39
KDM4E B2RXH2 2/20 0.38
USP8 P40818 1/20 0.37
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13082284 0.83 CYP1A2 (0.44) CYP1A2CYP2C19CYP2C9KDM4EUSP8
SCHEMBL4972108 0.81 CYP1A2 (0.43) CYP1A2CYP2C19KDM4EUSP8TSHR
SCHEMBL5009144 0.79 LMNA (0.42) CYP1A2CYP2C19TSHRALDH1A1HTT
SCHEMBL11095403 0.79 ALDH1A1 (0.57) CYP1A2CYP2C19CYP2C9KDM4ETSHR
SCHEMBL11091075 0.78 SLC22A12 (0.46) CA2CA9CA1CA12CA4
SCHEMBL11085124 0.78 PTGES2 (0.44) CA2CA9CA1CA12CA4
SCHEMBL28069830 0.77 EPAS1 (0.46) CYP1A2CYP2C19
SCHEMBL27272767 0.77 CA2 (0.47) CA2CA9CA1CA12CA4
SCHEMBL4968453 0.76 CYP1A2 (0.50) CYP1A2CYP2C19CA2CA1KDM4E
Water SCHEMBL27466610 0.76 CA2 (0.54) CA2CA9CA1CA12CA4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017554-B2 3-amino-1,2-benzisothiazole compounds for combating animal pest BASF SE (DE) 2011-09-13 US disclosed
US-20100167922-A1 3-Amino-1,2-benzisothiazole Compounds for Combating Animal Pest BASF SE (DE) 2010-07-01 US disclosed
EP-2003975-A1 3-AMINO-1,2-BENZISOTHIAZOLE COMPOUNDS FOR COMBATING ANIMAL PEST BASF SE (DE) 2008-12-24 EP disclosed
US-20080300280-A1 Cyanobenzene Compounds for Combating Animal Pests BASF SE (DE) 2008-12-04 US disclosed
EP-1956907-A2 CYANOBENZENE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2008-08-20 EP disclosed
WO-2007113119-A1 3-AMINO-1,2-BENZISOTHIAZOLE COMPOUNDS FOR COMBATING ANIMAL PEST BASF SE (DE) 2007-10-11 WO disclosed
WO-2007060220-A2 CYANOBENZENE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2007-05-31 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080300280-A1 Cyanobenzene Compounds for Combating Animal Pests NR0B1, NR0B2, CBR1 CYP1A2 149/4885CYP2C19 960/4885CA2 701/4885
US-20100167922-A1 3-Amino-1,2-benzisothiazole Compounds for Combating Animal Pest BPNT1, AADAT, BCAT1 CYP1A2 1320/4885CYP2C19 3121/4885CA2 816/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.